| Identification | More | [Name]
Allyl heptanoate | [CAS]
142-19-8 | [Synonyms]
2-PROPENYL HEPTANOATE
ALLYL ENANTHATE
ALLYL HEPTANOATE
ALLYL HEPTOATE
ALLYL HEPTYLATE
FEMA 2031
HEPTANOIC ACID ALLYL ESTER
Allyl n-heptanoate
Allylester kyseliny enanthove
allylesterkyselinyenanthove
Heptanoic acid, 2-propenyl ester
Heptanoicacid,2-propenylester
ALLYL HEPTANOATE 97+% FCC
Allyl-n-heptoate
Allyl heptanoate, 98+%
Allylheptanoat
ALLYLHEPTAT
ALLYL HEPTOATE, NATURAL
Prop-2-enyl heptanoate
Enanthic acid allyl ester | [EINECS(EC#)]
205-527-1 | [Molecular Formula]
C10H18O2 | [MDL Number]
MFCD00038341 | [Molecular Weight]
170.25 | [MOL File]
142-19-8.mol |
| Chemical Properties | Back Directory | [Appearance]
CLEAR COLOURLESS LIQUID | [Melting point ]
-66 °C | [Boiling point ]
210 °C
| [density ]
0.885 g/mL at 25 °C(lit.)
| [vapor pressure ]
30.3Pa at 25℃ | [FEMA ]
2031 | [refractive index ]
n20/D 1.428(lit.)
| [Fp ]
180 °F
| [storage temp. ]
Inert atmosphere,2-8°C | [solubility ]
soluble in Methanol | [form ]
clear liquid | [color ]
A colourless liquid. | [Odor]
at 100.00 %. sweet pineapple fruity waxy banana fusel cognac | [Odor Type]
fruity | [Water Solubility ]
INSOLUBLE | [JECFA Number]
4 | [BRN ]
8544440 | [InChIKey]
SJWKGDGUQTWDRV-UHFFFAOYSA-N | [LogP]
3.97 at 20℃ | [CAS DataBase Reference]
142-19-8(CAS DataBase Reference) | [NIST Chemistry Reference]
Allyl heptanoate(142-19-8) | [EPA Substance Registry System]
142-19-8(EPA Substance) |
| Safety Data | Back Directory | [Hazard Codes ]
Xn | [Risk Statements ]
R21/22:Harmful in contact with skin and if swallowed .
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed . | [Safety Statements ]
S36/37:Wear suitable protective clothing and gloves . | [RIDADR ]
UN 2810 6.1/PG 3
| [WGK Germany ]
3
| [RTECS ]
MJ1750000
| [TSCA ]
Yes | [HazardClass ]
6.1 | [PackingGroup ]
III | [HS Code ]
29159000 | [Safety Profile]
Moderately toxic by ingestion and skin contact. A human skin irritant. See also ALL= COMPOUNDS and ESTERS. Combustible liquid. When heated to decomposition it emits acrid smoke and irritating fumes. | [Toxicity]
guinea pig,LD50,oral,444mg/kg (444mg/kg),BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY),Food and Cosmetics Toxicology. Vol. 2, Pg. 327, 1964. |
| Hazard Information | Back Directory | [Chemical Properties]
2-Propenyl Heptanoate has been found
in, for example, wild edible mushrooms. It is used in perfume compositions for
apple-like (pineapple) notes. | [Chemical Properties]
A liquid with characteristic wine odor and a slight banana note and banana-like flavor | [Chemical Properties]
CLEAR COLOURLESS LIQUID | [Occurrence]
Has apparently not been reported to occur in nature. | [Uses]
This old-line chemical was one of the first to be Flavor and Extract Manufacturers Association-registered GRAS (generally recognized as safe). It can be used as part of ester complexes, primarily in fruit flavors like apple, pineapple, pear, plum, banana, fruit punch, and tropicals such as kiwi, papaya and mango. It can also play an important role in the fruity notes of aged cheeses, especially Parmesan, Asiago and grana padano. | [Definition]
ChEBI: Allyl heptanoate is a fatty acid ester. | [Preparation]
By direct esterijication of allyl alcohol with heptanoic acid under azeotropic conditions, or by any other suitable means. | [Taste threshold values]
Taste characteristics at 10 ppm: fruity, pineapple-like with waxy tropical nuance | [Toxicity evaluation]
The acute oral LD50 values in rats, mice and guinea-pigs were reported as 500, 630 and 444 mg/kg, respectively (Hagan, Jenner, Jones, Fitzhugh, Long, Brouwer & Webb, 1965). The acute dermal LD50 value in rabbits was reported as 0.81 g/kg .(0.44-1.18 g/kg) (Moreno, 1974). Administration of 165 mg/kg by stomach tube daily for 4 days caused death in one of the six rats. Macroscopic liver lesions were observed in all animals; the livers were yellow in colour and approximately half of the hepatic tissue was necrotic(Taylor, Jenner
& Jones, 1964). | [General Description]
Allyl heptanoate is a flavor and fragrance ingredient that may be present in karanda fruit. | [Biochem/physiol Actions]
Taste at 5-10ppm | [Metabolism]
The hydrolysis of ester linkages in foreign compounds may be catalysed by many different esterases; most of these have a low degree of substrate specificity and they are to be found in all animals and bacteria(Parke, 1968). In the rat, allyl acetate and allyl alcohol are metabolized to 3-hydroxypropylmercapturic acid, which is excreted in the urine(Clapp, Kaye & Young,
1969). Heptanoic acid, like other odd-carbon fatty acids, is converted to glycogen with little or no formation of ketone bodies. The mechanism probably involves β-oxidation with formation of two acetic acid molecules plus one propionic acid molecule(Deuel, 1957). |
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